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Proceedings
2005 Annual Meeting
Computational Molecular Science and Engineering Forum
Computation and Theory of Phase Equilibria
2005 Annual Meeting
Session: Computation and Theory of Phase Equilibria
Chair
David A. Kofke
, University of Buffalo
Presentations
08:00 AM
(455a) Phase Transitions and Criticality in Small Nanoscale Systems
Alexander V. Neimark, A. Vishnyakov
08:18 AM
(455b) Finite-Size Scaling Monte Carlo Simulations of Tricritical Behavior
08:36 AM
(455c) Thermodynamics of Symmetric Dimers: Lattice Dft Predictions and Simulations
Yiming Chen, G.L. Aranovich, M.D. Donohue
08:54 AM
(455d) Development and Application of Mayer Sampling Methods for the Evaluation of Cluster Integrals
David A. Kofke
09:12 AM
(455e) Studying Thermophysical Properties with Molecular Dynamics
David J. Keffer, William V. Steele, Jared T Fern
09:30 AM
(455f) Determination of Interfacial Tension in Binary Mixtures Using Transition-Matrix Monte Carlo
09:48 AM
(455g) Modeling Co2 Solubility in Ionic Liquids Using Semi-Grand Ensemble Hybrid Monte Carlo
Haizhong Zhang
10:06 AM
(455h) Force Field Parameterization and Calculation of Phase Equilibria for Organic Nitro Compounds
David Rigby
